HRID145962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

HCID2734702

3,4-Dimethoxyphenylboronic acid

C8H11BO4

HCID46835333

3-Amino-5-fluorobenzamide

C7H7FN2O

结构：COc1ccc(C(Nc2cc(C)cc(C(N)=O)c2)C(=O)O)cc1OC

HCID59479497

2-(3-Carbamoyl-5-methylphenylamino)-2-(3,4-dimethoxyphenyl)acetic acid

C18H20N2O5

PRODUCTS

生成物

结构：COc1ccc(C(Nc2cc(F)cc(C(N)=O)c2)C(=O)O)cc1OC

HCID59479507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e3f078e6ceb466f9bf7278f79b7e7dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:11][CH:12]([C:13](=[O:14])[OH:15])[c:16]2[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:7][c:8]([CH3:10])[cH:9]1.[C:51]([OH:52])(=[O:53])[CH:54]=[O:55].[CH3:37][O:38][c:39]1[cH:40][c:41]([B:42]([OH:43])[OH:44])[cH:45][cH:46][c:47]1[O:48][CH3:49].[NH2:26][c:27]1[cH:28][c:29]([C:33]([NH2:34])=[O:35])[cH:30][c:31]([F:36])[cH:32]1.[OH2:50]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]([NH:11][CH:12]([C:13](=[O:14])[OH:15])[c:16]2[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[cH:7][c:8]([F:36])[cH:9]1